(3S)-N1-cyclohexyl-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-1-ium-4-ylcarbonyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3S)-N1-cyclohexyl-N3-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-piperidin-1-ium-4-ylcarbonyl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N1-cyclohexyl-N3-[(3S)-2-oxo-3-piperidyl]-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide CAS Name: (3S)-N1-cyclohexyl-4-[oxo(4-piperidin-1-iumyl)methyl]-N3-[(3S)-2-oxo-3-piperidinyl]piperazine-1,3-dicarboxamide IUPAC Name: (3S)-1-N-cyclohexyl-3-N-[(3S)-2-oxopiperidin-3-yl]-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide Traditional Name: (3S)-N-cyclohexyl-N'-[(3S)-2-keto-3-piperidyl]-4-(piperidin-1-ium-4-carbonyl)piperazine-1,3-dicarboxamide Formula: C23H39N6O4+ MolecularWeight: 463.59356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)C4CC[NH2+]CC4

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN([C@@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4CC[NH2+]CC4

InChI

InChI=1S/C23H38N6O4/c30-20-18(7-4-10-25-20)27-21(31)19-15-28(23(33)26-17-5-2-1-3-6-17)13-14-29(19)22(32)16-8-11-24-12-9-16/h16-19,24H,1-15H2,(H,25,30)(H,26,33)(H,27,31)/p+1/t18-,19-/m0/s1